Carbonate Ion → 1-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-5-methyl-2-pyrrolidinone

HRID 321876Notes

Reaction equation

HRID 321876 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:24][CH:25]1[CH2:26][CH2:27][C:28](=[O:30])[NH:29]1.[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][cH:13][c:14]([O:16][c:17]4[n:18][cH:19][c:20]([I:23])[cH:21][cH:22]4)[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Cs+:35].[Cs+:36].[Cu:43][I:44].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][cH:13][c:14]([O:16][c:17]4[n:18][cH:19][c:20]([N:29]5[CH:25]([CH3:24])[CH2:26][CH2:27][C:28]5=[O:30])[cH:21][cH:22]4)[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 660555-Methyl-2-pyrrolidoneHCID 104967Cesium cation2×HCID 574402941H-3-Benzazepine, 3-cyclobutyl-2,3,4,5-tetrahydro-7-[(5-iodo-2-pyridinyl)oxy]-

Product 1

HCID 104305641-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-5-methyl-2-pyrrolidinone

Sources & evidence

ORD record
ord-fb0a8f44d5b2493a9149f4827612e6a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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